==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-DEC-02 1NJ4 . COMPND 2 MOLECULE: PENICILLIN-BINDING PROTEIN 5; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.NICOLA,R.A.NICHOLAS,C.DAVIES . 343 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 25.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 20 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 0 0 0 1 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 1 1 3 1 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 3 A L > 0 0 138 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -67.3 46.1 -0.5 15.5 2 4 A N T 4 + 0 0 136 1,-0.2 0, 0.0 2,-0.2 0, 0.0 0.729 360.0 31.4 -43.1 -39.0 46.4 3.0 14.2 3 5 A I T >4 S+ 0 0 129 2,-0.2 3,-0.6 1,-0.1 -1,-0.2 0.792 120.4 50.3 -94.5 -30.3 44.6 2.4 10.9 4 6 A K T 34 S+ 0 0 95 1,-0.2 -2,-0.2 -3,-0.2 -1,-0.1 0.668 118.2 41.0 -78.2 -17.2 42.2 -0.3 12.0 5 7 A T T 3< S+ 0 0 66 -4,-2.4 -1,-0.2 2,-0.1 2,-0.2 0.138 85.0 125.9-118.9 18.4 41.1 1.8 15.0 6 8 A M < - 0 0 86 -3,-0.6 -3,-0.1 -5,-0.2 -4,-0.0 -0.543 54.6-136.4 -81.1 145.1 40.9 5.3 13.4 7 9 A I - 0 0 149 -2,-0.2 -2,-0.1 283,-0.0 -1,-0.0 -0.898 29.1-127.6 -95.6 119.1 37.7 7.4 13.6 8 10 A P - 0 0 23 0, 0.0 2,-0.2 0, 0.0 243,-0.0 -0.351 20.2-113.4 -67.2 147.6 37.1 8.9 10.2 9 11 A G - 0 0 63 1,-0.1 0, 0.0 -2,-0.0 0, 0.0 -0.518 30.9-120.8 -77.3 150.8 36.6 12.7 9.9 10 12 A V - 0 0 60 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.765 25.3-113.0 -95.9 138.7 33.1 13.8 8.9 11 13 A P - 0 0 31 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.272 36.4-101.2 -62.4 153.6 32.7 15.9 5.7 12 14 A Q - 0 0 163 2,-0.0 2,-0.5 1,-0.0 231,-0.1 -0.645 36.8-157.0 -74.7 132.6 31.5 19.5 6.1 13 15 A I - 0 0 15 -2,-0.4 2,-2.4 2,-0.1 227,-0.0 -0.958 11.9-142.8-116.6 117.1 27.8 19.7 5.3 14 16 A D + 0 0 62 -2,-0.5 218,-2.4 222,-0.1 219,-0.4 -0.369 68.6 91.2 -79.1 66.6 26.5 23.1 4.3 15 17 A A E S-A 231 0A 10 -2,-2.4 216,-0.3 216,-0.3 215,-0.2 -0.959 82.5-113.6-151.5 163.0 23.1 22.8 6.1 16 18 A E E S+ 0 0 88 214,-1.0 2,-0.3 213,-0.6 214,-0.2 0.802 96.1 3.5 -72.9 -31.5 21.6 23.6 9.5 17 19 A S E +A 229 0A 1 212,-2.2 212,-3.2 17,-0.1 2,-0.3 -0.994 65.6 163.7-155.4 148.4 21.1 20.0 10.5 18 20 A Y E -AB 228 32A 10 14,-2.0 14,-2.0 -2,-0.3 2,-0.3 -0.987 12.1-168.3-156.1 166.9 21.8 16.5 9.3 19 21 A I E -AB 227 31A 0 208,-1.8 208,-2.2 -2,-0.3 2,-0.4 -0.970 7.6-158.9-156.1 150.3 22.0 12.8 10.2 20 22 A L E +AB 226 30A 0 10,-2.1 9,-2.7 -2,-0.3 10,-1.2 -0.977 23.0 172.2-132.9 116.0 23.2 9.7 8.4 21 23 A I E -AB 225 28A 6 204,-2.8 204,-2.8 -2,-0.4 2,-0.5 -0.888 35.1-116.2-125.2 157.3 21.9 6.4 9.7 22 24 A D E > -A 224 0A 0 5,-2.2 4,-2.2 -2,-0.3 202,-0.2 -0.808 22.6-142.2 -89.3 130.9 22.1 2.8 8.6 23 25 A Y T 4 S+ 0 0 44 200,-2.8 -1,-0.1 -2,-0.5 201,-0.1 0.836 94.9 39.1 -63.8 -38.1 18.6 1.4 7.7 24 26 A N T 4 S+ 0 0 48 199,-0.5 -1,-0.2 1,-0.1 262,-0.2 0.902 126.7 29.4 -82.4 -42.5 19.1 -2.0 9.1 25 27 A S T 4 S- 0 0 38 2,-0.1 -2,-0.2 260,-0.1 3,-0.1 0.728 90.3-134.4 -92.2 -23.3 21.0 -1.4 12.3 26 28 A G < + 0 0 32 -4,-2.2 -3,-0.1 1,-0.3 261,-0.0 0.399 49.5 157.5 83.7 -4.2 19.7 2.1 13.1 27 29 A K - 0 0 103 -6,-0.1 -5,-2.2 1,-0.1 2,-0.8 -0.303 42.7-131.7 -59.2 133.5 23.2 3.1 13.9 28 30 A V E -B 21 0A 40 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.805 23.9-178.6 -88.1 110.7 23.9 6.8 13.6 29 31 A L E - 0 0 15 -9,-2.7 2,-0.3 -2,-0.8 -8,-0.2 0.789 68.1 -9.9 -80.8 -30.5 27.1 7.3 11.5 30 32 A A E +B 20 0A 9 -10,-1.2 -10,-2.1 -20,-0.0 -1,-0.3 -0.966 65.1 173.6-164.3 155.7 27.1 11.0 11.7 31 33 A E E -B 19 0A 80 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.980 15.1-171.9-165.4 149.6 25.0 13.9 12.9 32 34 A Q E S-B 18 0A 106 -14,-2.0 -14,-2.0 -2,-0.3 119,-0.1 -0.920 84.2 -19.9-145.7 122.0 24.8 17.7 13.6 33 35 A N S > S+ 0 0 92 -2,-0.3 3,-1.2 -16,-0.2 118,-0.4 0.825 81.2 160.1 52.1 35.2 21.9 19.4 15.3 34 36 A A T 3 + 0 0 2 1,-0.3 118,-2.7 -16,-0.2 119,-0.5 0.625 68.4 44.1 -66.9 -15.1 19.8 16.3 14.5 35 37 A D T 3 S+ 0 0 68 116,-0.2 -1,-0.3 115,-0.1 2,-0.2 0.442 80.8 120.8-109.7 -1.1 17.2 16.9 17.1 36 38 A V < - 0 0 73 -3,-1.2 2,-0.4 1,-0.1 115,-0.3 -0.448 69.8-116.6 -64.8 129.7 16.7 20.6 16.6 37 39 A R + 0 0 132 -2,-0.2 2,-0.3 113,-0.1 113,-0.2 -0.556 47.4 161.3 -75.1 123.8 13.1 21.4 15.7 38 40 A R B -E 149 0B 49 111,-3.0 111,-2.6 -2,-0.4 171,-0.1 -0.917 47.6 -93.6-136.3 163.6 12.8 22.8 12.2 39 41 A D - 0 0 30 -2,-0.3 191,-0.2 109,-0.2 109,-0.2 -0.693 29.1-162.4 -80.4 116.3 10.1 23.3 9.6 40 42 A P > - 0 0 0 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.522 17.9-167.4 -79.2 -3.6 10.3 20.3 7.3 41 43 A A G > S- 0 0 3 1,-0.3 3,-1.4 106,-0.2 4,-0.1 -0.260 72.0 -2.4 49.3-126.5 8.3 22.1 4.6 42 44 A S G > S+ 0 0 23 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.522 113.1 87.6 -75.5 -1.6 7.2 19.5 2.0 43 45 A L G X> S+ 0 0 0 -3,-2.6 3,-2.1 1,-0.3 4,-0.6 0.742 73.5 79.5 -62.0 -21.1 9.1 16.6 3.8 44 46 A T H X> S+ 0 0 0 -3,-1.4 4,-1.5 1,-0.3 3,-1.4 0.855 77.7 67.7 -50.3 -38.2 5.7 16.4 5.6 45 47 A K H <> S+ 0 0 4 -3,-1.6 4,-2.6 95,-0.3 -1,-0.3 0.677 85.3 70.3 -61.9 -16.4 4.3 14.6 2.6 46 48 A M H <> S+ 0 0 0 -3,-2.1 4,-1.7 -4,-0.2 -1,-0.3 0.915 102.4 43.1 -65.2 -42.1 6.6 11.7 3.5 47 49 A M H S+ 0 0 17 -4,-2.5 5,-2.5 1,-0.2 6,-0.3 0.945 113.0 45.4 -59.1 -46.9 -4.1 2.2 4.7 56 58 A M H ><5S+ 0 0 36 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.876 110.2 54.4 -65.8 -35.2 -3.4 0.4 1.5 57 59 A K H 3<5S+ 0 0 130 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.852 108.0 50.3 -64.0 -35.5 -1.4 -2.3 3.3 58 60 A A T 3<5S- 0 0 63 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.470 120.3-115.3 -79.1 -5.2 -4.4 -2.9 5.5 59 61 A G T < 5S+ 0 0 58 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.720 71.3 139.3 79.1 22.2 -6.5 -3.1 2.4 60 62 A K S - 0 0 122 -2,-0.3 3,-1.6 -3,-0.1 26,-0.4 -0.835 32.2-101.1-127.7 166.4 -6.2 -0.1 -3.8 63 65 A E T 3 S+ 0 0 63 -2,-0.3 26,-2.8 1,-0.3 27,-0.3 0.734 117.7 55.6 -56.2 -28.0 -4.3 1.7 -6.6 64 66 A T T 3 S+ 0 0 104 24,-0.2 -1,-0.3 23,-0.2 2,-0.0 0.657 81.0 111.3 -81.7 -18.1 -7.1 1.1 -9.1 65 67 A D < - 0 0 45 -3,-1.6 23,-2.2 22,-0.1 2,-0.4 -0.312 68.0-126.1 -59.3 138.1 -9.8 2.7 -7.0 66 68 A L E -F 87 0C 93 21,-0.2 2,-0.4 22,-0.1 -1,-0.1 -0.707 17.6-154.9 -90.9 136.5 -11.2 6.0 -8.4 67 69 A V E -F 86 0C 4 19,-2.7 19,-2.7 -2,-0.4 2,-0.7 -0.928 8.6-142.0-111.2 131.1 -11.2 9.1 -6.2 68 70 A T E -F 85 0C 84 -2,-0.4 17,-0.2 17,-0.2 2,-0.1 -0.843 17.9-135.0 -95.3 117.2 -13.6 12.0 -6.9 69 71 A I - 0 0 15 15,-3.1 14,-2.7 -2,-0.7 2,-0.1 -0.449 30.1-172.4 -67.4 140.6 -12.1 15.4 -6.4 70 72 A G 0 0 46 12,-0.2 14,-0.1 -2,-0.1 -1,-0.1 -0.404 360.0 360.0-120.9-162.6 -14.3 17.8 -4.4 71 73 A N 0 0 197 -2,-0.1 -1,-0.1 11,-0.1 -2,-0.0 0.960 360.0 360.0 -82.2 360.0 -14.6 21.4 -3.3 72 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 84 A K > 0 0 127 0, 0.0 3,-1.5 0, 0.0 6,-0.5 0.000 360.0 360.0 360.0 -41.6 -7.0 27.8 -10.0 74 85 A G T 3 + 0 0 65 1,-0.3 7,-0.1 4,-0.1 0, 0.0 0.753 360.0 62.7 -67.1 -23.4 -9.1 26.9 -13.1 75 86 A S T 3 S+ 0 0 122 1,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.486 96.6 66.1 -79.9 -7.2 -6.4 28.6 -15.2 76 87 A S X - 0 0 39 -3,-1.5 3,-2.1 1,-0.1 -1,-0.1 -0.972 67.5-151.6-123.2 119.3 -3.7 26.2 -14.1 77 88 A L T 3 S+ 0 0 140 -2,-0.5 4,-0.1 1,-0.3 -3,-0.1 0.332 92.8 81.0 -67.1 12.5 -3.7 22.5 -15.0 78 89 A M T 3 S+ 0 0 136 -5,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.698 78.8 70.7 -91.4 -26.5 -1.8 22.3 -11.8 79 90 A F S < S- 0 0 76 -3,-2.1 2,-0.4 -6,-0.5 21,-0.0 -0.723 88.4-118.7 -92.0 143.1 -4.9 22.4 -9.6 80 91 A L - 0 0 9 -2,-0.3 -2,-0.1 1,-0.0 3,-0.0 -0.695 29.9-131.6 -82.0 130.4 -7.3 19.4 -9.5 81 92 A K > - 0 0 89 -2,-0.4 3,-1.9 1,-0.1 -12,-0.2 -0.616 25.2-100.3 -85.9 141.1 -10.8 20.4 -10.7 82 93 A P T 3 S+ 0 0 75 0, 0.0 -12,-0.2 0, 0.0 3,-0.1 -0.274 108.9 26.0 -57.4 138.6 -13.9 19.4 -8.8 83 94 A G T 3 S+ 0 0 52 -14,-2.7 -13,-0.1 1,-0.3 -12,-0.0 0.106 88.3 136.6 92.7 -21.3 -15.7 16.4 -10.1 84 95 A M < - 0 0 40 -3,-1.9 -15,-3.1 -16,-0.1 2,-0.5 -0.332 46.3-145.9 -59.8 134.5 -12.5 15.1 -11.6 85 96 A Q E +F 68 0C 114 -17,-0.2 -17,-0.2 -3,-0.1 -1,-0.1 -0.939 21.7 176.3-109.8 123.1 -12.0 11.4 -11.1 86 97 A V E -F 67 0C 2 -19,-2.7 -19,-2.7 -2,-0.5 93,-0.0 -0.985 29.9-118.5-130.2 133.4 -8.5 10.1 -10.5 87 98 A P E >> -F 66 0C 28 0, 0.0 4,-1.9 0, 0.0 3,-0.6 -0.317 26.5-120.6 -62.2 149.8 -7.2 6.6 -9.7 88 99 A V H 3> S+ 0 0 0 -23,-2.2 4,-3.0 -26,-0.4 5,-0.4 0.909 113.2 64.2 -58.3 -41.9 -5.3 6.2 -6.4 89 100 A S H 3> S+ 0 0 35 -26,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.864 107.2 42.2 -48.0 -41.3 -2.3 5.1 -8.4 90 101 A Q H <> S+ 0 0 49 -3,-0.6 4,-2.0 -27,-0.3 -1,-0.2 0.901 113.1 50.8 -77.3 -41.8 -2.1 8.5 -10.0 91 102 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.896 109.9 49.8 -62.9 -40.9 -2.8 10.6 -6.9 92 103 A I H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.845 110.6 49.6 -72.2 -28.8 -0.1 8.8 -4.8 93 104 A R H X>S+ 0 0 40 -4,-1.0 4,-2.8 -5,-0.4 5,-1.0 0.875 106.7 55.9 -73.4 -34.4 2.5 9.3 -7.5 94 105 A D H X5S+ 0 0 18 -4,-2.0 6,-2.0 3,-0.2 4,-1.0 0.947 115.1 40.2 -58.1 -45.3 1.5 13.0 -7.7 95 106 A I H X5S+ 0 0 0 -4,-2.1 4,-1.0 4,-0.3 -2,-0.2 0.957 122.2 38.3 -68.1 -50.1 2.3 13.1 -3.9 96 107 A N H <5S+ 0 0 0 -4,-3.0 -3,-0.2 2,-0.2 -2,-0.2 0.885 129.0 28.6 -74.2 -39.8 5.4 10.9 -3.9 97 108 A L H <5S+ 0 0 2 -4,-2.8 90,-2.6 -5,-0.2 91,-0.2 0.862 138.6 19.3 -88.2 -40.4 7.1 12.1 -7.1 98 109 A Q H < - 0 0 12 -6,-2.0 4,-1.2 -9,-0.2 -1,-0.2 -0.482 17.9-154.6 -68.9 128.0 1.3 17.7 -5.3 101 112 A N H > S+ 0 0 53 -2,-0.3 4,-1.9 2,-0.2 3,-0.3 0.931 91.6 51.6 -69.3 -47.0 -0.8 19.6 -2.8 102 113 A D H > S+ 0 0 38 -24,-0.3 4,-2.5 1,-0.2 5,-0.2 0.910 108.1 53.9 -56.2 -45.3 -4.2 18.9 -4.3 103 114 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.849 104.7 54.7 -58.4 -38.2 -3.4 15.2 -4.3 104 115 A C H X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.3 -1,-0.2 0.949 111.1 44.1 -61.3 -49.0 -2.6 15.2 -0.6 105 116 A V H X S+ 0 0 35 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.896 113.4 50.6 -61.8 -43.3 -6.0 16.7 0.3 106 117 A A H X S+ 0 0 13 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.907 113.5 45.2 -62.6 -42.2 -7.9 14.4 -2.0 107 118 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.828 109.5 56.4 -71.1 -31.5 -6.2 11.3 -0.6 108 119 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.943 110.7 42.9 -64.7 -49.9 -6.7 12.6 3.0 109 120 A D H X S+ 0 0 76 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.921 115.8 49.9 -60.8 -44.4 -10.4 12.9 2.5 110 121 A F H < S+ 0 0 81 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.865 120.1 34.7 -62.6 -40.9 -10.5 9.5 0.7 111 122 A A H < S+ 0 0 32 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.780 136.4 15.3 -86.5 -32.4 -8.5 7.7 3.4 112 123 A A H < S- 0 0 31 -4,-2.8 -3,-0.2 -5,-0.2 2,-0.2 0.435 94.3-115.4-128.2 -0.4 -9.7 9.3 6.6 113 124 A G S < S+ 0 0 61 -4,-2.0 2,-0.3 -5,-0.4 -4,-0.2 -0.091 90.4 27.3 93.5 -37.0 -12.8 11.3 5.9 114 125 A S S > S- 0 0 50 -6,-0.4 4,-2.1 -2,-0.2 5,-0.1 -0.985 76.6-116.0-153.4 159.0 -11.3 14.7 6.6 115 126 A Q H > S+ 0 0 65 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.907 116.2 51.4 -62.6 -43.4 -8.0 16.5 6.5 116 127 A D H > S+ 0 0 132 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.895 110.3 48.2 -64.9 -37.2 -8.0 17.1 10.3 117 128 A A H > S+ 0 0 47 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.880 110.4 52.5 -67.8 -37.4 -8.7 13.4 10.9 118 129 A F H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.924 107.6 51.6 -62.9 -42.6 -5.9 12.5 8.5 119 130 A V H X S+ 0 0 14 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.905 104.9 56.6 -61.2 -39.3 -3.6 14.8 10.5 120 131 A G H X S+ 0 0 35 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.893 107.5 48.4 -56.6 -41.2 -4.6 13.0 13.7 121 132 A L H X S+ 0 0 69 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.876 109.2 53.4 -66.1 -41.0 -3.4 9.8 12.0 122 133 A M H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.929 112.1 43.8 -57.8 -47.5 -0.2 11.5 11.1 123 134 A N H X S+ 0 0 32 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.762 108.8 58.1 -73.7 -22.8 0.4 12.5 14.7 124 135 A S H X S+ 0 0 76 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.889 107.5 47.3 -70.7 -37.5 -0.6 9.1 15.9 125 136 A Y H X S+ 0 0 61 -4,-2.0 4,-2.3 2,-0.2 6,-0.2 0.853 104.8 60.3 -71.2 -33.6 2.1 7.6 13.8 126 137 A V H <>S+ 0 0 3 -4,-1.7 5,-2.3 1,-0.2 4,-0.2 0.952 111.3 40.7 -54.1 -49.6 4.6 10.2 15.1 127 138 A N H ><5S+ 0 0 131 -4,-1.7 3,-1.3 1,-0.2 -2,-0.2 0.892 112.0 54.7 -69.8 -37.4 3.9 8.8 18.6 128 139 A A H 3<5S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.829 108.8 49.9 -63.6 -30.1 3.9 5.2 17.5 129 140 A L T 3<5S- 0 0 41 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.438 114.5-118.9 -87.5 -1.0 7.3 5.7 15.9 130 141 A G T < 5 + 0 0 42 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.731 52.0 167.0 69.7 25.5 8.6 7.2 19.2 131 142 A L < - 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